1-[3-[[3-cyano-1-(phenylmethyl)azetidin-3-yl]amino]-3-oxidanylidene-propyl]cyclohexane-1-carboxamide

Systemtic Name: 1-[3-[[3-cyano-1-(phenylmethyl)azetidin-3-yl]amino]-3-oxidanylidene-propyl]cyclohexane-1-carboxamide Openeye Name: 1-[3-[(1-benzyl-3-cyano-azetidin-3-yl)amino]-3-oxo-propyl]cyclohexanecarboxamide CAS Name: 1-[3-[[3-cyano-1-(phenylmethyl)-3-azetidinyl]amino]-3-oxopropyl]-1-cyclohexanecarboxamide IUPAC Name: 1-[3-[(1-benzyl-3-cyanoazetidin-3-yl)amino]-3-oxopropyl]cyclohexane-1-carboxamide Traditional Name: 1-[3-[(1-benzyl-3-cyano-azetidin-3-yl)amino]-3-keto-propyl]cyclohexanecarboxamide Formula: C21H28N4O2 MolecularWeight: 368.47262

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CCC(=O)NC2(CN(C2)CC3=CC=CC=C3)C#N)C(=O)N

Isomeric SMILES

C1CCC(CC1)(CCC(=O)NC2(CN(C2)CC3=CC=CC=C3)C#N)C(=O)N

InChI

InChI=1S/C21H28N4O2/c22-14-21(15-25(16-21)13-17-7-3-1-4-8-17)24-18(26)9-12-20(19(23)27)10-5-2-6-11-20/h1,3-4,7-8H,2,5-6,9-13,15-16H2,(H2,23,27)(H,24,26)